1-[[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]-3-phenyl-thiourea

Systemtic Name: 1-[[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]-3-phenyl-thiourea Openeye Name: 1-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]-3-phenyl-thiourea CAS Name: 1-[[1,4-dioxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butyl]amino]-3-phenylthiourea IUPAC Name: 1-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]-3-phenylthiourea Traditional Name: 1-[[4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butanoyl]amino]-3-phenyl-thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)NNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c26-18(22-23-20(28)21-16-9-5-2-6-10-16)11-12-19(27)25-14-13-17(24-25)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,22,26)(H2,21,23,28)